4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C11H11F3N4 — CID 115069398

IUPAC4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNCc1cnn(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-3-9(4-8)18-10(16)7(5-15)6-17-18/h1-4,6H,5,15-16H2
InChIKeyXWCZGHPSSUUPAV-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.93
Rot. Bonds2

About 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 115069398) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID115069398
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNCc1cnn(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-3-9(4-8)18-10(16)7(5-15)6-17-18/h1-4,6H,5,15-16H2
InChIKeyXWCZGHPSSUUPAV-UHFFFAOYSA-N
XLogP1.93
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 2806178
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 71369722
1-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 3746802
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 115069398) is 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is NCc1cnn(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is XWCZGHPSSUUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)8-2-1-3-9(4-8)18-10(16)7(5-15)6-17-18/h1-4,6H,5,15-16H2.
What are the key properties of 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 256.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 115069398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).